4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol

C10H18F3NO — CID 58380843

IUPAC4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC(N)C1(C(F)(F)F)CCC(O)CC1
InChIInChI=1S/C10H18F3NO/c1-2-8(14)9(10(11,12)13)5-3-7(15)4-6-9/h7-8,15H,2-6,14H2,1H3
InChIKeyJWIVEKYPTUDNEN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.21
Rot. Bonds2

About 4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol

4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 58380843) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID58380843
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC(N)C1(C(F)(F)F)CCC(O)CC1
InChIInChI=1S/C10H18F3NO/c1-2-8(14)9(10(11,12)13)5-3-7(15)4-6-9/h7-8,15H,2-6,14H2,1H3
InChIKeyJWIVEKYPTUDNEN-UHFFFAOYSA-N
XLogP2.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
CID 4337613
(2S,3R,5S)-2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18655656
2,5-Diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18939543
7,7-Diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 19881660
cis-4-(1-Hydroxy-2,2,2-trifluoroethyl)cyclohexylamine
CID 21252675
3-(4-Aminocyclohexyl)-1,1,1-trifluoropropan-2-ol
CID 54069912
(3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol
CID 54419507
4-(1-Amino-2-fluoro-ethyl)-4-ethyl-cyclohexanol
CID 58380838
4-(1-Amino-2,2,2-trifluoro-ethyl)-4-cyclopropylmethyl-cyclohexanol
CID 67072905
1,7-Diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 67918109
3-Amino-3-cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 69526783
3-Amino-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol
CID 69826100

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 58380843) is 4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol is CCC(N)C1(C(F)(F)F)CCC(O)CC1.
What is the InChIKey of 4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is JWIVEKYPTUDNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-8(14)9(10(11,12)13)5-3-7(15)4-6-9/h7-8,15H,2-6,14H2,1H3.
What are the key properties of 4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol?
4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropyl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 58380843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).