2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide

C11H20F2N2O2 — CID 103810624

IUPAC2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)NCC(O)C(F)F
InChIInChI=1S/C11H20F2N2O2/c12-10(13)9(16)6-15-11(17)7-4-2-1-3-5-8(7)14/h7-10,16H,1-6,14H2,(H,15,17)
InChIKeyIFVWWJRGKXVZQR-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.64
Rot. Bonds4

About 2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide

2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide (PubChem CID 103810624) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide
PubChem CID103810624
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)NCC(O)C(F)F
InChIInChI=1S/C11H20F2N2O2/c12-10(13)9(16)6-15-11(17)7-4-2-1-3-5-8(7)14/h7-10,16H,1-6,14H2,(H,15,17)
InChIKeyIFVWWJRGKXVZQR-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
CID 102554134
3-amino-4-cyclobutyl-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 70282613
2-(4,4-difluorocycloheptyl)-N-(4-hydroxypentyl)acetamide
CID 168158650
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64823812
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptane-1-carboxamide
CID 80151220
2-amino-N-(2,2,2-trifluoroethyl)cycloheptane-1-carboxamide
CID 80151475
2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptane-1-carboxamide
CID 80158659
2-amino-N-(3,3,3-trifluoropropyl)cycloheptane-1-carboxamide
CID 80158818
2-amino-N-(2,2-difluoroethyl)cycloheptane-1-carboxamide
CID 81489603
2-amino-N-(4,4,4-trifluorobutyl)cycloheptane-1-carboxamide
CID 81502568
cis-(1R,2S)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide
CID 99632241
trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide
CID 99632243

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide (CID 103810624) is 2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide is NC1CCCCCC1C(=O)NCC(O)C(F)F.
What is the InChIKey of 2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide?
The InChIKey is IFVWWJRGKXVZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c12-10(13)9(16)6-15-11(17)7-4-2-1-3-5-8(7)14/h7-10,16H,1-6,14H2,(H,15,17).
What are the key properties of 2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide?
2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 103810624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).