N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C15H16F3NO2 — CID 175411868

IUPACN-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)C(OC(F)C(F)CF)CC2
InChIInChI=1S/C15H16F3NO2/c1-2-14(20)19-10-5-3-9-4-6-13(11(9)7-10)21-15(18)12(17)8-16/h2-3,5,7,12-13,15H,1,4,6,8H2,(H,19,20)
InChIKeyUXVUYUGEPRHTAZ-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.42
Rot. Bonds6

About N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 175411868) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
PubChem CID175411868
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC NameN-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)C(OC(F)C(F)CF)CC2
InChIInChI=1S/C15H16F3NO2/c1-2-14(20)19-10-5-3-9-4-6-13(11(9)7-10)21-15(18)12(17)8-16/h2-3,5,7,12-13,15H,1,4,6,8H2,(H,19,20)
InChIKeyUXVUYUGEPRHTAZ-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687872
N-[3-(5,5,5-trifluoropentoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687901
N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687895
N-[1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687923
N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 139018845
N-[3-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421738
N-[(1R)-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687862
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
N-[3-(2,2-difluoroethoxy)phenyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422007
ethyl 2-(prop-2-enoylamino)-4-(1,2,3-trifluoropropoxy)benzoate
CID 175559382
(2,3,4,5,6-pentafluorophenyl) 4-(prop-2-enoylamino)benzoate
CID 71412819
N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162688006

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The IUPAC name of N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 175411868) is N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The canonical SMILES for N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)C(OC(F)C(F)CF)CC2.
What is the InChIKey of N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The InChIKey is UXVUYUGEPRHTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-2-14(20)19-10-5-3-9-4-6-13(11(9)7-10)21-15(18)12(17)8-16/h2-3,5,7,12-13,15H,1,4,6,8H2,(H,19,20).
What are the key properties of N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 299.29 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 175411868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).