3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol

C11H20F3NO — CID 64743390

IUPAC3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCC1CCCC(NCC(O)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-2-8-4-3-5-9(6-8)15-7-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3
InChIKeyFDYHPXBWACLSMC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds4

About 3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol

3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 64743390) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID64743390
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCC1CCCC(NCC(O)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-2-8-4-3-5-9(6-8)15-7-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3
InChIKeyFDYHPXBWACLSMC-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol (CID 64743390) is 3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol is CCC1CCCC(NCC(O)C(F)(F)F)C1.
What is the InChIKey of 3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is FDYHPXBWACLSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-8-4-3-5-9(6-8)15-7-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3.
What are the key properties of 3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 64743390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).