(1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol

C10H18F3NO — CID 163637378

IUPAC(1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol
SMILESCC(C)NC(C1CC1[C@H](C)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-5(2)14-9(10(11,12)13)8-4-7(8)6(3)15/h5-9,14-15H,4H2,1-3H3/t6-,7?,8?,9?/m0/s1
InChIKeyIBIWOVWWQZBKTQ-JUGFDQIVSA-N
MW225.25 g/mol
LogP1.93
Rot. Bonds4

About (1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol

(1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol (PubChem CID 163637378) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is (1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol
PubChem CID163637378
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name(1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol
SMILESCC(C)NC(C1CC1[C@H](C)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-5(2)14-9(10(11,12)13)8-4-7(8)6(3)15/h5-9,14-15H,4H2,1-3H3/t6-,7?,8?,9?/m0/s1
InChIKeyIBIWOVWWQZBKTQ-JUGFDQIVSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992077
1-Cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992080
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992116
1-Cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992119
1-[1-Propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992145
1-Cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992147
1-[1-(2-Methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992167
1-[1-Butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992181
1-[1-Propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992222
1-Cyclopropyl-2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992224
1-[1-Butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992437
1-[1-Cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992470

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol?
The IUPAC name of (1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol (CID 163637378) is (1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol?
The canonical SMILES for (1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol is CC(C)NC(C1CC1[C@H](C)O)C(F)(F)F.
What is the InChIKey of (1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol?
The InChIKey is IBIWOVWWQZBKTQ-JUGFDQIVSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-5(2)14-9(10(11,12)13)8-4-7(8)6(3)15/h5-9,14-15H,4H2,1-3H3/t6-,7?,8?,9?/m0/s1.
What are the key properties of (1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol?
(1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol has a molecular weight of 225.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol is sourced from PubChem (CID 163637378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).