cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol

C8H14F3NO — CID 131177094

IUPACcis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol
SMILESCC(N[C@H]1CC[C@@H](O)C1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-5(8(9,10)11)12-6-2-3-7(13)4-6/h5-7,12-13H,2-4H2,1H3/t5?,6-,7+/m0/s1
InChIKeyGBKSSYGVYVEZJD-BOJSHJERSA-N
MW197.20 g/mol
LogP1.44
Rot. Bonds2

About cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol

cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol (PubChem CID 131177094) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol
PubChem CID131177094
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Namecis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol
SMILESCC(N[C@H]1CC[C@@H](O)C1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-5(8(9,10)11)12-6-2-3-7(13)4-6/h5-7,12-13H,2-4H2,1H3/t5?,6-,7+/m0/s1
InChIKeyGBKSSYGVYVEZJD-BOJSHJERSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol?
The IUPAC name of cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol (CID 131177094) is cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol is CC(N[C@H]1CC[C@@H](O)C1)C(F)(F)F.
What is the InChIKey of cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol?
The InChIKey is GBKSSYGVYVEZJD-BOJSHJERSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-5(8(9,10)11)12-6-2-3-7(13)4-6/h5-7,12-13H,2-4H2,1H3/t5?,6-,7+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol?
cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol has a molecular weight of 197.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(1,1,1-trifluoropropan-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 131177094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).