(2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol

C14H20F3NO2 — CID 94782800

IUPAC(2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol
SMILESCc1ccc([C@@](O)(CCNC2CCCC2)C(F)(F)F)o1
InChIInChI=1S/C14H20F3NO2/c1-10-6-7-12(20-10)13(19,14(15,16)17)8-9-18-11-4-2-3-5-11/h6-7,11,18-19H,2-5,8-9H2,1H3/t13-/m0/s1
InChIKeyNMUZDHKTFXXBDU-ZDUSSCGKSA-N
MW291.31 g/mol
LogP3.26
Rot. Bonds5

About (2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol

(2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol (PubChem CID 94782800) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is (2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol
PubChem CID94782800
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name(2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol
SMILESCc1ccc([C@@](O)(CCNC2CCCC2)C(F)(F)F)o1
InChIInChI=1S/C14H20F3NO2/c1-10-6-7-12(20-10)13(19,14(15,16)17)8-9-18-11-4-2-3-5-11/h6-7,11,18-19H,2-5,8-9H2,1H3/t13-/m0/s1
InChIKeyNMUZDHKTFXXBDU-ZDUSSCGKSA-N
XLogP3.26
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol?
The IUPAC name of (2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol (CID 94782800) is (2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol.
What is the SMILES notation for (2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol?
The canonical SMILES for (2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol is Cc1ccc([C@@](O)(CCNC2CCCC2)C(F)(F)F)o1.
What is the InChIKey of (2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol?
The InChIKey is NMUZDHKTFXXBDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-10-6-7-12(20-10)13(19,14(15,16)17)8-9-18-11-4-2-3-5-11/h6-7,11,18-19H,2-5,8-9H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol?
(2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol has a molecular weight of 291.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(cyclopentylamino)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol is sourced from PubChem (CID 94782800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).