N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

C16H15F3N2O — CID 141293020

IUPACN-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESO=C(NC1CN(CCC(F)(F)F)C1)C1=CC=C2C1=CC1=C2C1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)3-4-21-7-10(8-21)20-15(22)12-2-1-11-13-5-9(13)6-14(11)12/h1-2,6,10H,3-5,7-8H2,(H,20,22)
InChIKeyRQKLRPRIXJZMMH-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.25
Rot. Bonds4

About N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (PubChem CID 141293020) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
PubChem CID141293020
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC NameN-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESO=C(NC1CN(CCC(F)(F)F)C1)C1=CC=C2C1=CC1=C2C1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)3-4-21-7-10(8-21)20-15(22)12-2-1-11-13-5-9(13)6-14(11)12/h1-2,6,10H,3-5,7-8H2,(H,20,22)
InChIKeyRQKLRPRIXJZMMH-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123747436
N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292998
N-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293246

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The IUPAC name of N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (CID 141293020) is N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is O=C(NC1CN(CCC(F)(F)F)C1)C1=CC=C2C1=CC1=C2C1.
What is the InChIKey of N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The InChIKey is RQKLRPRIXJZMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c17-16(18,19)3-4-21-7-10(8-21)20-15(22)12-2-1-11-13-5-9(13)6-14(11)12/h1-2,6,10H,3-5,7-8H2,(H,20,22).
What are the key properties of N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is sourced from PubChem (CID 141293020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).