4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine

C10H18F3NO — CID 84735636

IUPAC4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine
SMILESCOC(CC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-15-9(10(11,12)13)6-7-2-4-8(14)5-3-7/h7-9H,2-6,14H2,1H3
InChIKeySBGPCSQZJJYRJF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds3

About 4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine

4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine (PubChem CID 84735636) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine
PubChem CID84735636
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine
SMILESCOC(CC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-15-9(10(11,12)13)6-7-2-4-8(14)5-3-7/h7-9H,2-6,14H2,1H3
InChIKeySBGPCSQZJJYRJF-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
CID 4337613
2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine
CID 21252713
3-(4-Aminocyclohexyl)-1,1,1-trifluoropropan-2-ol
CID 54069912
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
4-(2,3-Difluoro-4-methoxycyclohexyl)cyclohexan-1-amine
CID 68198507
3-Amino-3-cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 69526783
4-Ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 97179628
4-(3,3-Difluoropropoxymethyl)cyclohexan-1-amine
CID 118523703
4-Hexoxy-3-(trifluoromethyl)cyclohexan-1-amine
CID 123640175
1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine
CID 123911581
4-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 126566213

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine?
The IUPAC name of 4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine (CID 84735636) is 4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine?
The canonical SMILES for 4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine is COC(CC1CCC(N)CC1)C(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine?
The InChIKey is SBGPCSQZJJYRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-15-9(10(11,12)13)6-7-2-4-8(14)5-3-7/h7-9H,2-6,14H2,1H3.
What are the key properties of 4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine?
4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 84735636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).