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

C10H18F3NO — CID 63901437

IUPAC3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCCN(CC1CC1)CC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-2-5-14(6-8-3-4-8)7-9(15)10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyYNAFABPBKCMQRU-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.03
Rot. Bonds6

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

3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63901437) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63901437
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCCN(CC1CC1)CC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-2-5-14(6-8-3-4-8)7-9(15)10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyYNAFABPBKCMQRU-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63901437) is 3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol is CCCN(CC1CC1)CC(O)C(F)(F)F.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is YNAFABPBKCMQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-5-14(6-8-3-4-8)7-9(15)10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).