2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H13F6NO — CID 86605616

IUPAC2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C9H13F6NO/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h5-6,17H,1-4,16H2
InChIKeyLZEXAKOYZVIYHR-UHFFFAOYSA-N
MW265.20 g/mol
LogP2.36
Rot. Bonds1

About 2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 86605616) has the molecular formula C9H13F6NO and a molecular weight of 265.20 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID86605616
Molecular FormulaC9H13F6NO
Molecular Weight265.20 g/mol
Exact Mass265.09
IUPAC Name2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C9H13F6NO/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h5-6,17H,1-4,16H2
InChIKeyLZEXAKOYZVIYHR-UHFFFAOYSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-2-(4-Amino-cyclohexyl)-propan-2-ol
CID 53255491
cis-4-(1-Hydroxy-2,2,2-trifluoroethyl)cyclohexylamine
CID 21252675
4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine
CID 21252713
2-(4-Aminocyclohexyl)-1,1,1-trifluoro-2-propanol
CID 54449113
1,1,1,3,3,3-Hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol
CID 87772867
(1R)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
CID 129247390
(1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
CID 129247391
1-(4-Aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride
CID 129247507
2-[4-(Cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 141144454
2-[4-(Ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 154457891
4-Amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
CID 163295594
2-(4-Aminocyclohexyl)propan-2-ol;2,2,2-trifluoroacetic acid
CID 175902945

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 86605616) is 2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is NC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is LZEXAKOYZVIYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h5-6,17H,1-4,16H2.
What are the key properties of 2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 265.20 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 86605616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).