4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline

C14H14F3NO2 — CID 63084467

IUPAC4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
SMILESCC(Cc1ccco1)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C14H14F3NO2/c1-9(7-11-3-2-6-19-11)18-10-4-5-13(12(15)8-10)20-14(16)17/h2-6,8-9,14,18H,7H2,1H3
InChIKeySFUQKNSDUQYIBD-UHFFFAOYSA-N
MW285.26 g/mol
LogP4.06
Rot. Bonds6

About 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline

4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline (PubChem CID 63084467) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
PubChem CID63084467
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
SMILESCC(Cc1ccco1)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C14H14F3NO2/c1-9(7-11-3-2-6-19-11)18-10-4-5-13(12(15)8-10)20-14(16)17/h2-6,8-9,14,18H,7H2,1H3
InChIKeySFUQKNSDUQYIBD-UHFFFAOYSA-N
XLogP4.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62633256
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969
methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate
CID 63086324
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline
CID 63098725
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63085318
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline
CID 116698821
3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 63098734
2-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 107281770

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline?
The IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline (CID 63084467) is 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline?
The canonical SMILES for 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline is CC(Cc1ccco1)Nc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline?
The InChIKey is SFUQKNSDUQYIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-9(7-11-3-2-6-19-11)18-10-4-5-13(12(15)8-10)20-14(16)17/h2-6,8-9,14,18H,7H2,1H3.
What are the key properties of 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline?
4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline has a molecular weight of 285.26 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline is sourced from PubChem (CID 63084467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).