(1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide

C10H14F4N2O — CID 166339490

IUPAC(1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(NCC(F)C(F)(F)F)C1[C@@H]2CNC[C@H]1C2
InChIInChI=1S/C10H14F4N2O/c11-7(10(12,13)14)4-16-9(17)8-5-1-6(8)3-15-2-5/h5-8,15H,1-4H2,(H,16,17)/t5-,6+,7?,8?
InChIKeyZVOOKXJBHAYERX-XEDAXZNXSA-N
MW254.23 g/mol
LogP0.86
Rot. Bonds3

About (1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide

(1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 166339490) has the molecular formula C10H14F4N2O and a molecular weight of 254.23 g/mol. Its IUPAC name is (1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID166339490
Molecular FormulaC10H14F4N2O
Molecular Weight254.23 g/mol
Exact Mass254.10
IUPAC Name(1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(NCC(F)C(F)(F)F)C1[C@@H]2CNC[C@H]1C2
InChIInChI=1S/C10H14F4N2O/c11-7(10(12,13)14)4-16-9(17)8-5-1-6(8)3-15-2-5/h5-8,15H,1-4H2,(H,16,17)/t5-,6+,7?,8?
InChIKeyZVOOKXJBHAYERX-XEDAXZNXSA-N
XLogP0.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3,3,3-tetrafluoropropyl)acetamide
CID 130011160
N-(2,3-dihydroxypropyl)adamantane-2-carboxamide
CID 81096560
(1S,4R,5R)-N-[2-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropyl]-2-azabicyclo[2.1.1]hexane-5-carboxamide
CID 166295657
N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide
CID 113273452
3-[2-[(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)amino]propylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 4172482
(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
CID 103795786
3-(difluoromethyl)azetidine;2,2,2-trifluoroacetic acid
CID 155943912
(1S,5R)-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 131207269
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide
CID 81096242
(1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide
CID 171598114
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide
CID 103723234

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of (1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide (CID 166339490) is (1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide is O=C(NCC(F)C(F)(F)F)C1[C@@H]2CNC[C@H]1C2.
What is the InChIKey of (1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is ZVOOKXJBHAYERX-XEDAXZNXSA-N. The full InChI is InChI=1S/C10H14F4N2O/c11-7(10(12,13)14)4-16-9(17)8-5-1-6(8)3-15-2-5/h5-8,15H,1-4H2,(H,16,17)/t5-,6+,7?,8?.
What are the key properties of (1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide?
(1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 254.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-(2,3,3,3-tetrafluoropropyl)-3-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 166339490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).