(2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol

C10H18F3NO — CID 40550404

IUPAC(2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CNC1CCCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)7-14-8-5-3-1-2-4-6-8/h8-9,14-15H,1-7H2/t9-/m1/s1
InChIKeyXBELEQRIKAOIBD-SECBINFHSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds3

About (2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol

(2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 40550404) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is (2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID40550404
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name(2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CNC1CCCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)7-14-8-5-3-1-2-4-6-8/h8-9,14-15H,1-7H2/t9-/m1/s1
InChIKeyXBELEQRIKAOIBD-SECBINFHSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Cyclohexylamino)-1,1,1-trifluoropropan-2-ol
CID 3454746
2-Cycloheptylamino-ethanol
CID 12217891
3-(Cyclopentylamino)-1,1,1-trifluoropropan-2-ol
CID 2768009
3-(Cycloheptylamino)-1,1,1-trifluoropropan-2-ol
CID 3852053
(2S)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol
CID 40550402
3-(Decylamino)-1,1,1-trifluoropropan-2-ol
CID 78971582
(2R)-3-(decan-5-ylamino)-1,1,1-trifluoropropan-2-ol
CID 87510006
3-(Decan-5-ylamino)-1,1,1-trifluoropropan-2-ol
CID 87795848
(2R)-1,1,1-trifluoro-3-(undecan-6-ylamino)propan-2-ol
CID 87995816
(2R)-3-[(4-aminocyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 141338799
(2S)-3-[(4-aminocyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 141338815
(3S)-2-(4,4,4-trifluorobutylamino)hexan-3-ol
CID 146647597

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol (CID 40550404) is (2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol is O[C@H](CNC1CCCCCC1)C(F)(F)F.
What is the InChIKey of (2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is XBELEQRIKAOIBD-SECBINFHSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)9(15)7-14-8-5-3-1-2-4-6-8/h8-9,14-15H,1-7H2/t9-/m1/s1.
What are the key properties of (2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol?
(2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 40550404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).